Basic information
- CAS
26909-37-5- Standard SMILES
CO[C@]12[C@H](CO)C3=C(C(=O)C(C)=C(N)C3=O)N1C[C@H]1N[C@H]12- InChIKey
OUADMZZEIRSDSG-CHFCKMNRSA-N- Molecular formula
- C14H17N3O4
- Average molar mass
- 291.3 g/mol
- Monoisotopic mass
- 291.12190603
Names & identifiers
- Preferred name
- 6-Amino-8-(hydroxymethyl)-8a-methoxy-5-methyl-1,1a,2,8,8a,8b-hexahydroazireno[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione
- IUPAC
- (4R,6R,7S,8S)-11-amino-8-(hydroxymethyl)-7-methoxy-12-methyl-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-diene-10,13-dione
Names & synonyms
SCHEMBL29367564DTXSID80949701(1aR,8S,8aS,8bR)-6-Amino-8-(hydroxymethyl)-8a-methoxy-5-methyl-1,1a,2,8,8a,8b-hexahydroazirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione6-Amino-8-(hydroxymethyl)-8a-methoxy-5-methyl-1,1a,2,8,8a,8b-hexahydroazireno[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione
Database identifiers
- CAS
26909-37-5- PubChem CID
- 33641
- DTXSID
DTXSID80949701
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 653
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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